#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkd s ILE 4 N 0.00 4.54 -0.25 3.15 1.01 -1.26 -4.74 121.20 123.66 1tkd s ILE 4 Ca 0.00 1.21 -0.12 0.00 0.00 0.00 0.00 60.65 61.74 1tkd s ILE 4 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1tkd s ILE 4 CO 0.00 -0.19 0.24 -0.63 0.00 0.00 0.00 174.94 174.36 1tkd s ILE 5 N -2.01 5.29 -0.51 2.92 1.01 0.44 -4.99 121.20 123.35 1tkd s ILE 5 Ca 0.56 0.34 -0.22 0.00 0.00 0.00 0.00 60.65 61.33 1tkd s ILE 5 Cb -0.11 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1tkd s ILE 5 CO 0.16 0.28 0.76 -1.00 0.00 0.00 0.00 174.94 175.14 1tkd s HIS 6 N 1.41 2.94 0.64 3.97 3.76 -1.26 -0.51 115.29 126.25 1tkd s HIS 6 Ca 0.11 -0.24 -0.08 0.00 -0.15 0.00 0.00 55.06 54.69 1tkd s HIS 6 Cb -0.15 -3.74 0.01 0.00 1.11 0.00 0.00 32.58 29.81 1tkd s HIS 6 CO 0.07 -1.14 0.98 -0.51 -0.85 0.00 0.00 174.74 173.29 1tkd s LEU 7 N 3.22 3.09 0.12 0.89 1.43 -0.11 -4.96 118.68 122.36 1tkd s LEU 7 Ca 0.23 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1tkd s LEU 7 Cb -0.16 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 1tkd s LEU 7 CO 0.16 -1.19 0.01 0.42 0.23 0.00 0.00 176.35 175.98 1tkd s THR 8 N -3.15 0.38 0.20 5.49 -4.23 -1.26 -4.67 115.64 108.39 1tkd s THR 8 Ca 0.56 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 1tkd s THR 8 Cb -0.11 -1.93 0.11 0.00 1.34 0.00 0.00 72.50 71.92 1tkd s THR 8 CO 0.48 -0.62 1.80 0.44 -0.54 0.00 0.00 174.62 176.19 1tkd h ASP 9 N 2.88 0.50 1.09 3.99 3.32 -1.90 -1.26 116.42 125.03 1tkd h ASP 9 Ca -0.35 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1tkd h ASP 9 Cb 1.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1tkd h ASP 9 CO 0.62 0.34 0.00 0.44 -1.72 0.00 0.00 179.24 178.92 1tkd h ASP 10 N 0.63 0.00 -0.01 6.45 3.32 -2.01 -3.07 116.42 121.74 1tkd h ASP 10 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1tkd h ASP 10 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1tkd h ASP 10 CO -0.16 0.00 -0.25 -1.54 -1.72 0.00 0.00 179.24 175.57 1tkd n SER 11 N -2.77 1.84 -0.22 6.45 3.41 -0.92 -4.57 113.62 116.84 1tkd n SER 11 Ca 0.02 -1.42 -0.07 0.00 -0.26 0.00 0.00 58.87 57.14 1tkd n SER 11 Cb 0.32 0.35 0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1tkd n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1tkd h PHE 12 N 2.20 0.89 0.11 7.33 3.04 -1.14 -1.13 116.94 128.25 1tkd h PHE 12 Ca 0.00 -0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.91 1tkd h PHE 12 Cb 0.59 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 1tkd h PHE 12 CO 0.00 0.68 -0.19 0.22 -2.02 0.00 0.00 178.31 177.00 1tkd h ASP 13 N 0.83 -0.53 0.32 0.41 1.82 -1.81 -0.74 116.42 116.74 1tkd h ASP 13 Ca 0.21 0.06 -0.24 0.00 -0.39 0.00 0.00 57.03 56.66 1tkd h ASP 13 Cb 0.14 0.20 0.01 0.00 0.68 0.00 0.00 39.33 40.36 1tkd h ASP 13 CO -0.02 -0.27 -1.02 0.71 -1.61 0.00 0.00 179.24 177.02 1tkd h THR 14 N -0.37 1.39 0.00 2.25 1.35 -1.85 -1.93 112.91 113.75 1tkd h THR 14 Ca 0.02 -2.51 -0.08 0.00 -0.55 0.00 0.00 66.41 63.29 1tkd h THR 14 Cb 0.38 2.51 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1tkd h THR 14 CO -0.10 0.75 -0.38 0.44 -0.25 0.00 0.00 175.52 175.98 1tkd h ASP 15 N 0.23 0.00 0.00 5.36 3.32 -1.19 -3.24 116.42 120.90 1tkd h ASP 15 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1tkd h ASP 15 Cb 1.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.23 1tkd h ASP 15 CO 0.18 0.38 -0.04 0.52 -1.72 0.00 0.00 179.24 178.56 1tkd n VAL 16 N -3.40 0.16 0.32 -1.35 0.31 -0.29 -4.24 118.33 109.84 1tkd n VAL 16 Ca 0.01 0.18 0.19 0.00 -0.01 0.00 0.00 64.34 64.70 1tkd n VAL 16 Cb 0.56 -1.24 0.98 0.00 -0.91 0.00 0.00 33.84 33.23 1tkd n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1tkd h LEU 17 N -0.04 0.00 -2.74 7.52 3.38 -1.36 -1.51 115.31 120.56 1tkd h LEU 17 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1tkd h LEU 17 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1tkd h LEU 17 CO 0.00 0.00 -0.20 0.29 0.09 0.00 0.00 178.44 178.62 1tkd n LYS 18 N -3.11 0.93 0.21 1.13 5.02 -0.83 -2.45 118.16 119.07 1tkd n LYS 18 Ca -0.02 -2.21 0.09 0.00 -2.02 0.00 0.00 58.31 54.15 1tkd n LYS 18 Cb 0.25 -1.20 0.43 0.00 -0.02 0.00 0.00 35.03 34.49 1tkd n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tkd h ALA 19 N 0.11 1.02 -5.70 7.82 0.00 -1.29 -3.47 119.26 117.74 1tkd h ALA 19 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1tkd h ALA 19 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1tkd h ALA 19 CO 0.00 0.33 -0.97 -0.25 0.00 0.00 0.00 179.25 178.36 1tkd n ASP 20 N -3.44 -7.32 0.00 0.00 9.92 -1.26 -4.97 116.55 109.48 1tkd n ASP 20 Ca 0.00 0.86 0.00 0.00 -0.53 0.00 0.00 54.79 55.12 1tkd n ASP 20 Cb 0.45 -3.73 0.00 0.00 -0.64 0.00 0.00 41.12 37.20 1tkd n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tkd n GLY 21 N 0.74 2.86 3.69 0.44 0.00 -1.26 -4.99 105.19 106.67 1tkd n GLY 21 Ca 0.01 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1tkd n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tkd s ALA 22 N -1.91 3.43 -0.11 4.61 0.00 -1.26 -4.13 121.76 122.39 1tkd s ALA 22 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1tkd s ALA 22 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1tkd s ALA 22 CO 0.00 -0.65 -0.14 0.42 0.00 0.00 0.00 175.76 175.39 1tkd s ILE 23 N 2.05 1.41 -0.37 0.00 -1.09 0.23 -1.89 121.20 121.55 1tkd s ILE 23 Ca 0.51 -0.57 -0.14 0.00 -2.23 0.00 0.00 60.65 58.22 1tkd s ILE 23 Cb -0.21 -1.32 -0.00 0.00 -1.58 0.00 0.00 42.46 39.35 1tkd s ILE 23 CO 0.20 0.43 0.27 -0.22 -1.23 0.00 0.00 174.94 174.38 1tkd s LEU 24 N 1.18 4.77 -0.19 2.97 2.96 0.47 0.18 118.68 131.02 1tkd s LEU 24 Ca -0.03 -0.63 -0.10 0.00 -0.22 0.00 0.00 54.13 53.15 1tkd s LEU 24 Cb -0.14 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1tkd s LEU 24 CO -0.04 -0.33 0.12 -0.69 -1.32 0.00 0.00 176.35 174.10 1tkd s VAL 25 N 1.70 5.36 -0.31 1.68 1.01 0.13 -1.08 120.40 128.89 1tkd s VAL 25 Ca 0.06 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 1tkd s VAL 25 Cb -0.18 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.80 1tkd s VAL 25 CO 0.10 0.45 0.04 -0.62 0.00 0.00 0.00 175.10 175.07 1tkd s ASP 26 N 0.29 5.02 -0.32 3.32 2.15 -0.42 -0.61 116.67 126.09 1tkd s ASP 26 Ca 0.08 -1.17 -0.22 0.00 0.43 0.00 0.00 52.55 51.67 1tkd s ASP 26 Cb -0.11 -1.77 -0.00 0.00 -0.30 0.00 0.00 42.92 40.73 1tkd s ASP 26 CO -0.02 -0.27 0.73 -0.36 -0.17 0.00 0.00 175.17 175.09 1tkd s PHE 27 N 1.32 3.19 0.36 -5.34 0.40 -0.15 -1.60 117.98 116.17 1tkd s PHE 27 Ca -0.03 0.67 0.05 0.00 -0.60 0.00 0.00 56.93 57.02 1tkd s PHE 27 Cb -0.19 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.13 1tkd s PHE 27 CO 0.00 -0.57 0.17 1.67 0.70 0.00 0.00 175.22 177.19 1tkd s TRP 28 N 2.87 1.74 -0.08 0.36 1.48 -1.04 -2.06 118.94 122.19 1tkd s TRP 28 Ca 0.30 -1.40 -0.13 0.00 -1.06 0.00 0.00 56.10 53.80 1tkd s TRP 28 Cb -0.14 -0.98 0.03 0.00 -1.16 0.00 0.00 33.47 31.22 1tkd s TRP 28 CO 0.13 -0.49 0.33 0.00 -4.06 0.00 0.00 176.95 172.86 1tkd s ALA 29 N -3.36 -0.83 0.55 2.67 0.00 -1.26 -1.44 121.76 118.08 1tkd s ALA 29 Ca 0.31 0.73 0.33 0.00 0.00 0.00 0.00 51.96 53.32 1tkd s ALA 29 Cb 0.03 -0.32 1.86 0.00 0.00 0.00 0.00 23.12 24.69 1tkd s ALA 29 CO 0.18 -0.20 2.23 1.49 0.00 0.00 0.00 175.76 179.46 1tkd h GLU 30 N 4.91 0.00 -0.65 0.00 4.57 -2.00 -2.87 114.58 118.54 1tkd h GLU 30 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1tkd h GLU 30 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1tkd h GLU 30 CO 0.33 0.03 0.00 -2.67 -1.18 0.00 0.00 179.01 175.52 1tkd n TRP 31 N -3.61 1.35 -4.01 0.92 4.27 -1.26 -4.90 117.44 110.20 1tkd n TRP 31 Ca -0.03 -0.50 -0.35 0.00 -3.89 0.00 0.00 57.50 52.74 1tkd n TRP 31 Cb 0.12 -0.30 -0.13 0.00 -1.36 0.00 0.00 31.31 29.64 1tkd n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1tkd h GLY 33 N 7.72 -1.22 0.45 0.00 0.00 -1.90 -2.45 103.07 105.67 1tkd h GLY 33 Ca -0.37 0.58 0.19 0.00 0.00 0.00 0.00 47.33 47.72 1tkd h GLY 33 CO 0.60 -0.35 0.56 -2.55 0.00 0.00 0.00 176.54 174.80 1tkd h PRO 34 N -0.89 0.37 -0.71 4.80 0.11 -1.95 -1.29 132.00 132.42 1tkd h PRO 34 Ca -0.05 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1tkd h PRO 34 Cb 0.79 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 1tkd h PRO 34 CO -0.09 0.24 0.19 0.00 -0.21 0.00 0.00 178.00 178.13 1tkd h LYS 36 N 1.07 0.00 0.15 0.00 3.64 -0.80 -2.73 116.57 117.90 1tkd h LYS 36 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1tkd h LYS 36 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1tkd h LYS 36 CO -0.00 0.30 -0.07 0.52 -2.27 0.00 0.00 179.45 177.93 1tkd h MET 37 N 0.00 -0.19 0.00 1.90 2.86 -1.03 -3.28 114.93 115.20 1tkd h MET 37 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1tkd h MET 37 Cb 0.68 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1tkd h MET 37 CO 0.04 0.23 0.00 1.51 1.06 0.00 0.00 176.91 179.75 1tkd n ILE 38 N -4.96 0.78 -0.05 -1.22 3.06 -0.88 -3.78 119.36 112.32 1tkd n ILE 38 Ca -0.08 0.14 -0.08 0.00 -2.50 0.00 0.00 62.75 60.23 1tkd n ILE 38 Cb 0.26 -1.07 -0.02 0.00 0.54 0.00 0.00 39.64 39.35 1tkd n ILE 38 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1tkd h ALA 39 N 2.30 0.14 -0.14 1.51 0.00 -1.54 -1.16 119.26 120.38 1tkd h ALA 39 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1tkd h ALA 39 Cb 0.43 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1tkd h ALA 39 CO 0.00 -0.48 -0.22 -1.35 0.00 0.00 0.00 179.25 177.20 1tkd h PRO 40 N -0.02 0.24 -0.62 0.00 0.11 -1.77 -2.58 132.00 127.36 1tkd h PRO 40 Ca 0.11 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 1tkd h PRO 40 Cb 0.19 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 1tkd h PRO 40 CO -0.25 0.45 0.28 0.82 -0.21 0.00 0.00 178.00 179.09 1tkd h ILE 41 N 0.22 1.22 -0.71 4.15 1.08 -1.56 -2.78 117.51 119.12 1tkd h ILE 41 Ca 0.04 -0.65 -0.04 0.00 -0.39 0.00 0.00 64.86 63.82 1tkd h ILE 41 Cb 0.52 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 1tkd h ILE 41 CO 0.04 0.26 0.29 -0.07 -0.69 0.00 0.00 178.15 177.98 1tkd h LEU 42 N 0.85 0.95 -0.87 1.44 3.38 -0.86 -0.98 115.31 119.22 1tkd h LEU 42 Ca 0.21 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1tkd h LEU 42 Cb 0.15 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1tkd h LEU 42 CO -0.02 0.84 0.57 0.44 0.09 0.00 0.00 178.44 180.36 1tkd h ASP 43 N 1.02 0.98 -0.12 -0.43 3.32 -1.21 0.65 116.42 120.62 1tkd h ASP 43 Ca 0.24 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.05 1tkd h ASP 43 Cb 0.18 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1tkd h ASP 43 CO -0.02 0.69 -0.79 -0.33 -1.72 0.00 0.00 179.24 177.07 1tkd h GLU 44 N 1.15 0.75 -0.92 3.56 5.08 -1.34 -3.19 114.58 119.67 1tkd h GLU 44 Ca 0.33 -0.64 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1tkd h GLU 44 Cb -0.08 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1tkd h GLU 44 CO -0.09 1.25 0.55 0.82 -1.00 0.00 0.00 179.01 180.54 1tkd h ILE 45 N 0.46 1.25 -0.66 3.13 1.08 -0.79 -2.22 117.51 119.76 1tkd h ILE 45 Ca -0.06 -0.56 0.11 0.00 -0.39 0.00 0.00 64.86 63.96 1tkd h ILE 45 Cb 1.43 -0.04 -0.08 0.00 -3.07 0.00 0.00 36.82 35.06 1tkd h ILE 45 CO 0.16 0.27 0.25 0.00 -0.69 0.00 0.00 178.15 178.14 1tkd h ALA 46 N 1.34 0.87 -0.79 1.87 0.00 -0.86 -1.72 119.26 119.96 1tkd h ALA 46 Ca 0.33 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1tkd h ALA 46 Cb -0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1tkd h ALA 46 CO -0.06 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 1tkd n ASP 47 N -5.00 0.00 -0.32 0.00 9.92 -0.88 -2.53 116.55 117.74 1tkd n ASP 47 Ca 0.11 0.74 -0.00 0.00 -0.53 0.00 0.00 54.79 55.10 1tkd n ASP 47 Cb 0.32 -0.37 0.04 0.00 -0.64 0.00 0.00 41.12 40.47 1tkd n ASP 47 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1tkd n GLU 48 N -1.60 -0.19 -0.05 -1.24 1.02 -0.96 0.89 120.64 118.51 1tkd n GLU 48 Ca 0.00 1.28 0.01 0.00 -0.02 0.00 0.00 57.16 58.44 1tkd n GLU 48 Cb 0.00 -1.90 0.04 0.00 -0.02 0.00 0.00 31.44 29.56 1tkd n GLU 48 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1tkd n TYR 49 N -5.23 0.13 -1.67 -0.32 4.02 -0.65 -4.88 117.16 108.56 1tkd n TYR 49 Ca 0.09 -0.06 -0.45 0.00 -0.01 0.00 0.00 57.90 57.47 1tkd n TYR 49 Cb 0.34 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.61 1tkd n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1tkd n GLN 50 N -0.20 2.58 0.00 -0.72 7.27 0.26 -1.29 117.38 125.27 1tkd n GLN 50 Ca 0.03 0.95 0.00 0.00 0.07 0.00 0.00 57.00 58.05 1tkd n GLN 50 Cb 0.10 -2.85 0.00 0.00 2.41 0.00 0.00 30.24 29.90 1tkd n GLN 50 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1tkd n GLY 51 N 4.47 3.24 0.44 1.69 0.00 -1.26 -4.81 105.19 108.97 1tkd n GLY 51 Ca 0.21 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1tkd n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tkd n LYS 52 N 0.00 0.73 -3.63 1.61 2.85 -0.76 -5.01 118.16 113.96 1tkd n LYS 52 Ca 0.00 -1.23 -0.14 0.00 -1.05 0.00 0.00 58.31 55.90 1tkd n LYS 52 Cb 0.00 -1.21 -0.07 0.00 -0.65 0.00 0.00 35.03 33.10 1tkd n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1tkd s LEU 53 N -0.89 -0.74 -0.14 -5.58 2.96 -0.41 -4.59 118.68 109.29 1tkd s LEU 53 Ca 0.13 1.44 -0.02 0.00 -0.22 0.00 0.00 54.13 55.47 1tkd s LEU 53 Cb 0.09 2.44 -0.02 0.00 0.50 0.00 0.00 46.19 49.20 1tkd s LEU 53 CO 0.13 -0.25 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.94 1tkd s THR 54 N 0.45 3.47 -0.25 3.68 2.01 -0.79 -4.32 115.64 119.90 1tkd s THR 54 Ca -0.01 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 1tkd s THR 54 Cb -0.05 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1tkd s THR 54 CO -0.00 0.51 0.09 -0.69 -0.69 0.00 0.00 174.62 173.84 1tkd s VAL 55 N 0.29 4.52 0.11 3.82 1.01 -1.26 -0.40 120.40 128.49 1tkd s VAL 55 Ca -0.07 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1tkd s VAL 55 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1tkd s VAL 55 CO 0.04 0.34 -0.21 0.00 0.00 0.00 0.00 175.10 175.27 1tkd s ALA 56 N 1.51 1.86 0.00 5.51 0.00 -0.24 -0.42 121.76 129.98 1tkd s ALA 56 Ca 0.06 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 50.81 1tkd s ALA 56 Cb -0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1tkd s ALA 56 CO 0.05 0.37 -0.19 0.15 0.00 0.00 0.00 175.76 176.13 1tkd s LYS 57 N -1.97 1.48 -0.21 0.00 1.02 0.33 -1.30 119.74 119.08 1tkd s LYS 57 Ca 0.07 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 1tkd s LYS 57 Cb -0.10 -1.47 0.06 0.00 -0.52 0.00 0.00 37.83 35.80 1tkd s LYS 57 CO 0.04 0.39 0.00 -1.17 -0.92 0.00 0.00 175.35 173.70 1tkd s LEU 58 N -0.67 1.78 -0.42 3.17 2.96 -0.63 -0.93 118.68 123.94 1tkd s LEU 58 Ca 0.07 -0.99 -0.29 0.00 -0.22 0.00 0.00 54.13 52.70 1tkd s LEU 58 Cb -0.08 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.79 1tkd s LEU 58 CO 0.00 -0.28 1.33 0.21 -1.32 0.00 0.00 176.35 176.29 1tkd s ASN 59 N 1.66 6.44 0.37 3.68 3.84 -1.26 -2.50 114.94 127.17 1tkd s ASN 59 Ca -0.03 0.77 0.26 0.00 0.21 0.00 0.00 52.86 54.07 1tkd s ASN 59 Cb -0.18 -2.54 1.35 0.00 -0.55 0.00 0.00 41.25 39.33 1tkd s ASN 59 CO -0.08 -1.36 1.79 0.16 -2.79 0.00 0.00 177.10 174.82 1tkd h ILE 60 N 6.36 0.00 0.08 -5.21 3.07 -1.43 0.18 117.51 120.56 1tkd h ILE 60 Ca -0.26 -0.04 -0.13 0.00 1.55 0.00 0.00 64.86 65.97 1tkd h ILE 60 Cb 1.09 0.65 0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1tkd h ILE 60 CO 1.09 0.00 -0.61 0.44 -1.05 0.00 0.00 178.15 178.02 1tkd h ASP 61 N 0.00 0.28 1.22 2.16 3.32 -1.90 -3.18 116.42 118.32 1tkd h ASP 61 Ca 0.00 -0.94 -0.10 0.00 0.02 0.00 0.00 57.03 56.01 1tkd h ASP 61 Cb 0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1tkd h ASP 61 CO 0.00 1.28 -0.47 1.56 -1.72 0.00 0.00 179.24 179.90 1tkd h GLN 62 N -0.61 0.00 -2.89 3.56 4.20 -1.85 -3.38 115.11 114.15 1tkd h GLN 62 Ca -0.12 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.98 1tkd h GLN 62 Cb 1.42 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.80 1tkd h GLN 62 CO 0.07 0.47 -0.75 -0.80 -0.67 0.00 0.00 178.83 177.15 1tkd s ASN 63 N -6.44 3.46 0.00 1.46 0.01 0.01 -4.90 114.94 108.53 1tkd s ASN 63 Ca 0.02 -2.88 0.26 0.00 -0.71 0.00 0.00 52.86 49.55 1tkd s ASN 63 Cb 0.09 -1.02 1.32 0.00 0.41 0.00 0.00 41.25 42.05 1tkd s ASN 63 CO 0.72 -0.22 1.87 -0.81 -1.51 0.00 0.00 177.10 177.15 1tkd n PRO 64 N 3.19 1.25 -0.01 -0.60 -0.04 -1.20 -4.28 135.00 133.31 1tkd n PRO 64 Ca 0.14 -0.37 -0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1tkd n PRO 64 Cb 0.37 -1.42 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1tkd n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tkd n GLY 65 N 1.00 -1.10 0.07 0.55 0.00 -1.26 -4.65 105.19 99.79 1tkd n GLY 65 Ca 0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1tkd n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1tkd h THR 66 N 0.00 0.88 -0.78 2.61 2.02 -1.93 -3.39 112.91 112.32 1tkd h THR 66 Ca -0.23 -1.58 0.14 0.00 0.77 0.00 0.00 66.41 65.51 1tkd h THR 66 Cb 1.63 1.64 -0.14 0.00 -1.74 0.00 0.00 68.15 69.55 1tkd h THR 66 CO 0.03 0.29 -0.30 0.00 0.37 0.00 0.00 175.52 175.91 1tkd h ALA 67 N -0.48 0.23 -0.88 6.16 0.00 -1.83 -1.10 119.26 121.36 1tkd h ALA 67 Ca -0.00 0.25 0.23 0.00 0.00 0.00 0.00 54.91 55.38 1tkd h ALA 67 Cb 0.51 0.78 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1tkd h ALA 67 CO 0.01 -0.56 0.33 -1.35 0.00 0.00 0.00 179.25 177.68 1tkd h PRO 68 N -0.06 0.31 -0.07 0.00 0.11 -1.83 0.61 132.00 131.07 1tkd h PRO 68 Ca 0.32 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.43 1tkd h PRO 68 Cb 0.58 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1tkd h PRO 68 CO -0.82 0.20 0.12 0.87 -0.21 0.00 0.00 178.00 178.16 1tkd h LYS 69 N 0.32 0.00 -0.42 1.05 1.57 -1.39 -1.16 116.57 116.53 1tkd h LYS 69 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1tkd h LYS 69 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1tkd h LYS 69 CO -0.58 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 178.96 1tkd n TYR 70 N -3.54 1.02 -3.19 -1.35 4.01 0.21 -4.98 117.16 109.35 1tkd n TYR 70 Ca -0.01 -0.67 -0.23 0.00 -0.16 0.00 0.00 57.90 56.82 1tkd n TYR 70 Cb 0.21 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 1tkd n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tkd n GLY 71 N 0.36 -0.51 3.66 2.72 0.00 -0.44 -4.88 105.19 106.10 1tkd n GLY 71 Ca 0.20 0.12 -0.50 0.00 0.00 0.00 0.00 46.02 45.84 1tkd n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tkd n ILE 72 N -4.30 0.18 0.00 -0.61 2.08 -1.21 -4.83 119.36 110.67 1tkd n ILE 72 Ca -0.07 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1tkd n ILE 72 Cb 0.59 -1.34 0.00 0.00 -0.75 0.00 0.00 39.64 38.14 1tkd n ILE 72 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1tkd n ARG 73 N 4.21 3.50 -3.54 0.38 0.00 -1.26 -4.94 116.66 115.00 1tkd n ARG 73 Ca 0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.91 1tkd n ARG 73 Cb 0.23 -0.69 -0.05 0.00 0.00 0.00 0.00 32.46 31.95 1tkd n ARG 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1tkd s GLY 74 N -1.33 -0.47 0.09 5.14 0.00 -1.26 -5.18 107.32 104.31 1tkd s GLY 74 Ca 0.00 0.64 0.04 0.00 0.00 0.00 0.00 44.72 45.41 1tkd s GLY 74 CO 0.00 0.33 -0.11 -0.26 0.00 0.00 0.00 173.10 173.06 1tkd s ILE 75 N -2.56 1.02 0.29 0.90 -4.36 -1.26 -3.96 121.20 111.27 1tkd s ILE 75 Ca -0.05 -1.57 -0.29 0.00 -0.26 0.00 0.00 60.65 58.48 1tkd s ILE 75 Cb -0.01 -1.30 -0.10 0.00 1.25 0.00 0.00 42.46 42.30 1tkd s ILE 75 CO -0.03 -0.47 1.16 -2.16 0.24 0.00 0.00 174.94 173.68 1tkd s PRO 76 N -2.53 4.56 -0.20 0.37 0.04 -1.26 -4.73 135.00 131.25 1tkd s PRO 76 Ca 0.04 1.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.94 1tkd s PRO 76 Cb -0.05 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1tkd s PRO 76 CO 0.01 0.10 0.01 0.99 0.04 0.00 0.00 177.00 178.15 1tkd s THR 77 N -1.10 4.05 -0.37 1.26 2.01 -0.88 -2.00 115.64 118.60 1tkd s THR 77 Ca 0.46 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 62.09 1tkd s THR 77 Cb -0.34 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.38 1tkd s THR 77 CO 0.44 0.43 0.19 -0.76 -0.69 0.00 0.00 174.62 174.22 1tkd s LEU 78 N 0.96 4.71 -0.18 4.42 1.43 -0.04 -0.98 118.68 129.01 1tkd s LEU 78 Ca 0.02 -1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 51.89 1tkd s LEU 78 Cb -0.14 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1tkd s LEU 78 CO 0.02 -0.41 -0.01 -0.76 0.23 0.00 0.00 176.35 175.42 1tkd s LEU 79 N 1.47 3.34 -0.42 1.79 1.02 0.22 -1.62 118.68 124.48 1tkd s LEU 79 Ca 0.01 -0.12 -0.13 0.00 0.02 0.00 0.00 54.13 53.91 1tkd s LEU 79 Cb -0.20 -1.83 0.05 0.00 0.02 0.00 0.00 46.19 44.23 1tkd s LEU 79 CO 0.04 0.13 0.29 -0.22 0.02 0.00 0.00 176.35 176.62 1tkd s LEU 80 N 0.58 5.13 0.02 1.79 0.20 0.14 0.22 118.68 126.77 1tkd s LEU 80 Ca -0.01 -1.14 -0.08 0.00 0.69 0.00 0.00 54.13 53.59 1tkd s LEU 80 Cb -0.14 -2.10 -0.05 0.00 -0.43 0.00 0.00 46.19 43.47 1tkd s LEU 80 CO 0.02 -0.50 0.31 -0.36 -0.29 0.00 0.00 176.35 175.54 1tkd s PHE 81 N 1.59 3.60 -0.19 5.38 0.40 0.13 0.38 117.98 129.26 1tkd s PHE 81 Ca 0.03 0.67 -0.04 0.00 -0.60 0.00 0.00 56.93 57.00 1tkd s PHE 81 Cb -0.21 -2.07 0.09 0.00 0.51 0.00 0.00 43.02 41.34 1tkd s PHE 81 CO 0.07 0.60 0.23 0.15 0.70 0.00 0.00 175.22 176.96 1tkd s LYS 82 N -1.68 0.18 -1.07 0.44 1.02 -0.10 -0.60 119.74 117.92 1tkd s LYS 82 Ca 0.28 0.30 -0.13 0.00 0.02 0.00 0.00 55.97 56.44 1tkd s LYS 82 Cb -0.14 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.14 1tkd s LYS 82 CO 0.15 -0.59 0.85 0.09 -0.92 0.00 0.00 175.35 174.93 1tkd n ASN 83 N 5.32 -6.08 0.00 2.83 4.13 -1.26 -2.22 115.26 117.99 1tkd n ASN 83 Ca -0.05 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.38 1tkd n ASN 83 Cb 0.50 -4.31 0.00 0.00 -1.54 0.00 0.00 39.78 34.43 1tkd n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tkd n GLY 84 N -1.47 0.00 3.52 7.41 0.00 -1.03 -4.94 105.19 108.68 1tkd n GLY 84 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1tkd n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tkd s GLU 85 N -1.36 2.45 -0.30 1.61 2.02 -0.94 -4.91 118.70 117.26 1tkd s GLU 85 Ca 0.00 -0.75 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 1tkd s GLU 85 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1tkd s GLU 85 CO 0.00 0.60 1.29 0.08 0.02 0.00 0.00 175.26 177.26 1tkd s VAL 86 N -0.86 4.15 -0.07 2.63 1.01 -1.26 -0.93 120.40 125.07 1tkd s VAL 86 Ca 0.14 1.30 -0.14 0.00 0.00 0.00 0.00 61.98 63.28 1tkd s VAL 86 Cb -0.11 -4.17 -0.30 0.00 0.00 0.00 0.00 36.38 31.81 1tkd s VAL 86 CO 0.04 -0.48 0.66 0.00 0.00 0.00 0.00 175.10 175.31 1tkd h ALA 87 N 9.26 0.13 -2.35 5.51 0.00 -0.41 -3.48 119.26 127.92 1tkd h ALA 87 Ca -0.26 -1.08 -0.09 0.00 0.00 0.00 0.00 54.91 53.48 1tkd h ALA 87 Cb 1.10 0.43 -0.20 0.00 0.00 0.00 0.00 17.79 19.11 1tkd h ALA 87 CO 1.03 0.89 -0.09 0.00 0.00 0.00 0.00 179.25 181.08 1tkd s ALA 88 N -2.53 -1.19 0.03 0.00 0.00 -1.13 -5.01 121.76 111.93 1tkd s ALA 88 Ca -0.17 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.70 1tkd s ALA 88 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1tkd s ALA 88 CO 0.82 -0.29 -0.14 -0.08 0.00 0.00 0.00 175.76 176.07 1tkd s THR 89 N -0.97 1.13 -0.20 0.00 -1.32 -1.26 -0.68 115.64 112.34 1tkd s THR 89 Ca -0.10 -0.94 -0.11 0.00 -1.21 0.00 0.00 61.69 59.33 1tkd s THR 89 Cb -0.03 -1.01 0.07 0.00 -1.51 0.00 0.00 72.50 70.01 1tkd s THR 89 CO 0.05 0.07 0.48 -0.75 -2.21 0.00 0.00 174.62 172.26 1tkd s LYS 90 N -1.00 0.46 -0.11 7.08 2.47 -0.64 -5.04 119.74 122.97 1tkd s LYS 90 Ca 0.02 0.91 0.01 0.00 -1.56 0.00 0.00 55.97 55.35 1tkd s LYS 90 Cb -0.07 0.03 -0.02 0.00 -1.46 0.00 0.00 37.83 36.31 1tkd s LYS 90 CO 0.01 -0.16 -0.14 0.08 0.16 0.00 0.00 175.35 175.30 1tkd s VAL 91 N 1.52 3.02 0.00 4.02 1.01 -1.26 -0.86 120.40 127.85 1tkd s VAL 91 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1tkd s VAL 91 Cb -0.08 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1tkd s VAL 91 CO -0.15 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1tkd n GLY 92 N 3.19 3.84 3.18 4.51 0.00 -0.85 -4.94 105.19 114.13 1tkd n GLY 92 Ca -0.18 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1tkd n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tkd n ALA 93 N -1.42 4.21 -0.54 4.61 0.00 -1.26 -4.81 120.51 121.31 1tkd n ALA 93 Ca 0.00 -3.75 -0.29 0.00 0.00 0.00 0.00 53.44 49.41 1tkd n ALA 93 Cb 0.00 -3.57 0.24 0.00 0.00 0.00 0.00 19.45 16.12 1tkd n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tkd s LEU 94 N 3.67 1.10 0.40 0.00 1.43 -1.26 -4.90 118.68 119.12 1tkd s LEU 94 Ca 0.53 1.64 0.05 0.00 -1.03 0.00 0.00 54.13 55.31 1tkd s LEU 94 Cb 0.09 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1tkd s LEU 94 CO 0.02 -4.10 0.57 -0.94 0.23 0.00 0.00 176.35 172.12 1tkd s SER 95 N -2.50 5.79 0.20 2.29 1.04 -1.26 -4.81 113.70 114.46 1tkd s SER 95 Ca 0.68 -0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.82 1tkd s SER 95 Cb -0.25 -1.12 0.20 0.00 0.10 0.00 0.00 66.02 64.95 1tkd s SER 95 CO 0.64 -0.64 1.60 0.50 0.98 0.00 0.00 173.24 176.32 1tkd h LYS 96 N 0.64 -0.07 0.14 4.02 1.63 -1.95 0.19 116.57 121.17 1tkd h LYS 96 Ca -0.44 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 1tkd h LYS 96 Cb 1.27 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1tkd h LYS 96 CO 0.52 -0.05 -0.07 0.78 -3.45 0.00 0.00 179.45 177.18 1tkd h GLY 97 N -0.08 -0.20 1.13 5.01 0.00 -1.99 -1.87 103.07 105.07 1tkd h GLY 97 Ca 0.28 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.74 1tkd h GLY 97 CO -0.69 -0.07 0.46 1.46 0.00 0.00 0.00 176.54 177.70 1tkd h GLN 98 N -0.25 0.74 0.33 4.80 4.20 -1.71 0.11 115.11 123.33 1tkd h GLN 98 Ca -0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1tkd h GLN 98 Cb 0.20 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1tkd h GLN 98 CO 0.03 0.49 -0.16 1.25 -0.67 0.00 0.00 178.83 179.77 1tkd h LEU 99 N 0.76 -0.37 -0.75 1.46 6.46 -0.50 -0.21 115.31 122.16 1tkd h LEU 99 Ca 0.29 -0.17 0.16 0.00 -0.12 0.00 0.00 57.88 58.04 1tkd h LEU 99 Cb 0.18 0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 40.10 1tkd h LEU 99 CO -0.09 0.00 0.23 0.11 -0.62 0.00 0.00 178.44 178.07 1tkd h LYS 100 N -0.80 0.32 -0.11 1.25 1.57 -0.93 0.49 116.57 118.35 1tkd h LYS 100 Ca -0.04 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1tkd h LYS 100 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1tkd h LYS 100 CO 0.07 0.21 0.02 1.49 -0.57 0.00 0.00 179.45 180.67 1tkd h GLU 101 N 0.33 0.07 -0.62 3.15 4.81 -0.65 0.10 114.58 121.76 1tkd h GLU 101 Ca 0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1tkd h GLU 101 Cb 0.71 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1tkd h GLU 101 CO -0.48 0.04 0.41 0.35 -0.73 0.00 0.00 179.01 178.60 1tkd h PHE 102 N 0.07 0.79 0.48 0.92 3.57 0.10 -2.25 116.94 120.62 1tkd h PHE 102 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1tkd h PHE 102 Cb 0.04 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1tkd h PHE 102 CO -0.12 0.51 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.17 1tkd h LEU 103 N 0.84 -0.54 -2.02 0.59 3.38 0.23 -2.92 115.31 114.87 1tkd h LEU 103 Ca 0.23 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1tkd h LEU 103 Cb -0.08 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1tkd h LEU 103 CO -0.05 -0.21 0.34 0.44 0.09 0.00 0.00 178.44 179.05 1tkd h ASP 104 N -0.90 0.00 1.89 -0.43 3.32 -0.78 0.53 116.42 120.04 1tkd h ASP 104 Ca -0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1tkd h ASP 104 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1tkd h ASP 104 CO 0.11 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.62 1tkd h ALA 105 N 1.74 1.00 -0.00 3.45 0.00 -1.34 -3.30 119.26 120.81 1tkd h ALA 105 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1tkd h ALA 105 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1tkd h ALA 105 CO -0.00 0.00 -0.42 0.09 0.00 0.00 0.00 179.25 178.92 1tkd n ASN 106 N -3.10 0.60 -0.71 0.00 3.02 -0.06 -5.10 115.26 109.90 1tkd n ASN 106 Ca 0.04 -0.80 0.13 0.00 -0.03 0.00 0.00 54.58 53.92 1tkd n ASN 106 Cb 0.51 0.90 0.32 0.00 -0.61 0.00 0.00 39.78 40.90 1tkd n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82